methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate

C14H27NO2 — CID 79391970

IUPACmethyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCC1CCCCC1C
InChIInChI=1S/C14H27NO2/c1-10-7-5-6-8-13(10)9-15-12(3)11(2)14(16)17-4/h10-13,15H,5-9H2,1-4H3
InChIKeyPKLWPSFWNMIWKY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate

methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate (PubChem CID 79391970) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
PubChem CID79391970
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCC1CCCCC1C
InChIInChI=1S/C14H27NO2/c1-10-7-5-6-8-13(10)9-15-12(3)11(2)14(16)17-4/h10-13,15H,5-9H2,1-4H3
InChIKeyPKLWPSFWNMIWKY-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(thian-2-ylmethylamino)butanoate
CID 80600200
2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
CID 55013491
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106020245
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
CID 79397246
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate (CID 79391970) is methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate is COC(=O)C(C)C(C)NCC1CCCCC1C.
What is the InChIKey of methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate?
The InChIKey is PKLWPSFWNMIWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-7-5-6-8-13(10)9-15-12(3)11(2)14(16)17-4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate?
methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate is sourced from PubChem (CID 79391970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).